 Home > Encyclopedia > [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate

[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate

[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate structure

CAS No:
130096-08-1
Formula:
C18H33N8O13P3
Chemical Name:
[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate
Synonyms:
adenosine triphosphate-1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide;ATP-EDC;130096-08-1;ATP-Edc;DTXSID20926591;Adenosine triphosphate-1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide;9-{5-O-[{[{[({N-[3-(Dimethylamino)propyl]-N'-ethylcarbamimidoyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine

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[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate Basic Attributes

Molecular Weight：

662.4 g/mol

Exact Mass：

662.13799413 g/mol

Characteristics

PSA：

296 Å²

Drug Information

MeSH Entry Terms：

adenosine triphosphate-1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide

Computed Properties

Molecular Weight:662.4
XLogP3:-6.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:16
Exact Mass:662.13799413
Monoisotopic Mass:662.13799413
Topological Polar Surface Area:296
Heavy Atom Count:42
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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